(E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-[1-[(4-chlorophenyl)methyl]-3-indolyl]-2-cyano-N-(2,5-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-[1-(4-chlorobenzyl)indol-3-yl]-2-cyano-N-(2,5-dimethylphenyl)acrylamide Formula: C27H22ClN3O MolecularWeight: 439.93608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)Cl)/C#N

InChI

InChI=1S/C27H22ClN3O/c1-18-7-8-19(2)25(13-18)30-27(32)21(15-29)14-22-17-31(26-6-4-3-5-24(22)26)16-20-9-11-23(28)12-10-20/h3-14,17H,16H2,1-2H3,(H,30,32)/b21-14+